N-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride

C18H28ClN3O3S — CID 119572402

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride
SMILESCC(CN)(NC(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1)C1CC1.Cl
InChIInChI=1S/C18H27N3O3S.ClH/c1-18(12-19,14-5-6-14)20-17(22)11-4-13-2-9-16(10-3-13)25(23,24)21-15-7-8-15;/h2-3,9-10,14-15,21H,4-8,11-12,19H2,1H3,(H,20,22);1H
InChIKeyIKFNUCUYDOILRG-UHFFFAOYSA-N
MW401.96 g/mol
LogP1.73
Rot. Bonds9

About N-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride

N-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride (PubChem CID 119572402) has the molecular formula C18H28ClN3O3S and a molecular weight of 401.96 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride
PubChem CID119572402
Molecular FormulaC18H28ClN3O3S
Molecular Weight401.96 g/mol
Exact Mass401.15
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride
SMILESCC(CN)(NC(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1)C1CC1.Cl
InChIInChI=1S/C18H27N3O3S.ClH/c1-18(12-19,14-5-6-14)20-17(22)11-4-13-2-9-16(10-3-13)25(23,24)21-15-7-8-15;/h2-3,9-10,14-15,21H,4-8,11-12,19H2,1H3,(H,20,22);1H
InChIKeyIKFNUCUYDOILRG-UHFFFAOYSA-N
XLogP1.73
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.96
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide;hydrochloride
CID 119575626
3-[4-(cyclopropylsulfamoyl)phenyl]-N-(1,1-diphenylethyl)propanamide
CID 56523769
N-(3-aminopropyl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119404968
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119574829
N-[2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride
CID 119574022
N-(1-amino-2-cyclopropylpropan-2-yl)-5-(4-methylphenyl)pentanamide;hydrochloride
CID 119572987
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-bromo-3-methylphenyl)propanamide;hydrochloride
CID 119573653
N-(2-amino-1-cyclopropylethyl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119612928
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride
CID 119573606
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide;hydrochloride
CID 119575166
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[3-oxo-3-(propylamino)propyl]propanamide
CID 55977375
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(3-nitrophenyl)propanamide;hydrochloride
CID 119572628

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride (CID 119572402) is N-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride is CC(CN)(NC(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1)C1CC1.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride?
The InChIKey is IKFNUCUYDOILRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S.ClH/c1-18(12-19,14-5-6-14)20-17(22)11-4-13-2-9-16(10-3-13)25(23,24)21-15-7-8-15;/h2-3,9-10,14-15,21H,4-8,11-12,19H2,1H3,(H,20,22);1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride has a molecular weight of 401.96 g/mol, XLogP of 1.73, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119572402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).